Structure of human soluble guanylate cyclase in the inactive state at 3.1 angstrom
Resolution: 3.2 Å
EM Method: Single-particle
Fitted PDBs: 8hbe
Q-score: 0.526
Nitric Oxide (2023) 134-135 pp. 17-22 [ DOI: doi:10.1016/j.niox.2023.03.002 Pubmed: 36972843 ]
- Human soluble guanylate cyclase (Complex from Homo sapiens)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
- Protoporphyrin ix containing fe (616 Da, Ligand)
Structure of human soluble guanylate cyclase in the NO+Rio state at 3.1 angstrom
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8hbf
Q-score: 0.539
Nitric Oxide (2023) 134-135 pp. 17-22 [ DOI: doi:10.1016/j.niox.2023.03.002 Pubmed: 36972843 ]
- Magnesium ion (24 Da, Ligand)
- Phosphomethylphosphonic acid guanylate ester (521 Da, Ligand)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Protoporphyrin ix containing fe (616 Da, Ligand)
- Methyl ~{n}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{n}-methyl-carbamate (422 Da, Ligand)
- Human soluble guanylate cyclase (Complex from Homo sapiens)
- Nitric oxide (30 Da, Ligand)
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
Structure of human soluble guanylate cyclase in the NO-activated state at 3.1 angstrom
Resolution: 3.1 Å
EM Method: Single-particle
Fitted PDBs: 8hbh
Q-score: 0.537
Nitric Oxide (2023) 134-135 pp. 17-22 [ DOI: doi:10.1016/j.niox.2023.03.002 Pubmed: 36972843 ]
- Magnesium ion (24 Da, Ligand)
- Phosphomethylphosphonic acid guanylate ester (521 Da, Ligand)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Protoporphyrin ix containing fe (616 Da, Ligand)
- Human soluble guanylate cyclase (Complex from Homo sapiens)
- Nitric oxide (30 Da, Ligand)
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
Molecular mechanism of the the wake-promoting agent TAK-925
Resolution: 3.3 Å
EM Method: Single-particle
Fitted PDBs: 7sr8
Q-score: 0.457
Yin J, Kang Y, McGrath AP, Chapman K, Sjodt M, Kimura E, Okabe A, Koike T, Miyanohana Y, Shimizu Y, Rallabandi R, Lian P, Bai X, Flinspach M, De Brabander JK, Rosenbaum DM
Nat Commun (2022) 13 pp. 2902-2902 [ DOI: doi:10.1038/s41467-022-30601-3 Pubmed: 35614071 ]
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (37 kDa, Protein from Homo sapiens)
- Hypocretin receptor type 2 (46 kDa, Protein from Homo sapiens)
- Human orexin receptor 2 - g protein complex (Complex from Homo sapiens)
- Scfv16 (27 kDa, Protein from Homo sapiens)
- Oleic acid (282 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (9 kDa, Protein from Homo sapiens)
- A modified guanine nucleotide-binding protein g(q) subunit alpha (27 kDa, Protein from Homo sapiens)
- Methyl (2r,3s)-3-[(methanesulfonyl)amino]-2-({[(1s,4s)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate (424 Da, Ligand)
Structure of the orexin-2 receptor (OX2R) bound to TAK-925, Gi and scFv16
Resolution: 3.17 Å
EM Method: Single-particle
Fitted PDBs: 7sqo
Q-score: 0.487
Yin J, Kang Y, McGrath AP, Chapman K, Sjodt M, Kimura E, Okabe A, Koike T, Miyanohana Y, Shimizu Y, Rallabandi R, Lian P, Bai X, Flinspach M, De Brabander JK, Rosenbaum DM
Nat Commun (2022) 13 pp. 2902-2902 [ DOI: doi:10.1038/s41467-022-30601-3 Pubmed: 35614071 ]
- Scfv-16 (26 kDa, Protein from synthetic construct)
- Orexin receptor type 2 (Complex from Homo sapiens)
- Scfv-16 (Complex from synthetic construct)
- Guanine nucleotide-binding protein g(i) subunit alpha-1 (40 kDa, Protein from Homo sapiens)
- Human ox2r in complex with gai/gb/gg-scfv16. (Complex)
- Oleic acid (282 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 (39 kDa, Protein from Bos taurus)
- Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1, guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (Complex from Bos taurus)
- Orexin receptor type 2 (50 kDa, Protein from Homo sapiens)
- Guanine nucleotide-binding protein g(i) subunit alpha-1 (Complex from Homo sapiens)
- Methyl (2r,3s)-3-[(methanesulfonyl)amino]-2-({[(1s,4s)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate (424 Da, Ligand)
- Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit gamma-2 (7 kDa, Protein from Bos taurus)
Structure of huamn soluble guanylate cyclase in the riociguat and NO-bound state
Resolution: 3.7 Å
EM Method: Single-particle
Fitted PDBs: 7d9r
Q-score: 0.458
Nat Commun (2021) 12 pp. 5492-5492 [ Pubmed: 34535643 DOI: doi:10.1038/s41467-021-25617-0 ]
- Magnesium ion (24 Da, Ligand)
- Phosphomethylphosphonic acid guanylate ester (521 Da, Ligand)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Protoporphyrin ix containing fe (616 Da, Ligand)
- Methyl ~{n}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{n}-methyl-carbamate (422 Da, Ligand)
- Human soluble guanylate cyclase (Complex from Homo sapiens)
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
Structure of huamn soluble guanylate cyclase in the YC1 and NO-bound state
Resolution: 3.9 Å
EM Method: Single-particle
Fitted PDBs: 7d9s
Q-score: 0.452
Nat Commun (2021) 12 pp. 5492-5492 [ Pubmed: 34535643 DOI: doi:10.1038/s41467-021-25617-0 ]
- Magnesium ion (24 Da, Ligand)
- Phosphomethylphosphonic acid guanylate ester (521 Da, Ligand)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
- Protoporphyrin ix containing fe (616 Da, Ligand)
- Human soluble guanylate cyclase (Complex from Homo sapiens)
- [5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol (304 Da, Ligand)
Structure of human soluble guanylate cyclase in the cinciguat-bound inactive state
Resolution: 4.1 Å
EM Method: Single-particle
Fitted PDBs: 7d9t
Q-score: 0.417
Nat Commun (2021) 12 pp. 5492-5492 [ Pubmed: 34535643 DOI: doi:10.1038/s41467-021-25617-0 ]
- Human soluble guanylate cyclase (Complex from Homo sapiens)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
- 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid (565 Da, Ligand)
Structure of human soluble guanylate cyclase in the cinciguat-bound activated state
Resolution: 3.8 Å
EM Method: Single-particle
Fitted PDBs: 7d9u
Q-score: 0.445
Nat Commun (2021) 12 pp. 5492-5492 [ DOI: doi:10.1038/s41467-021-25617-0 Pubmed: 34535643 ]
- Guanylate cyclase soluble subunit beta-1 (70 kDa, Protein from Homo sapiens)
- Magnesium ion (24 Da, Ligand)
- 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid (565 Da, Ligand)
- Guanylate cyclase soluble subunit alpha-1 (77 kDa, Protein from Homo sapiens)
- Phosphomethylphosphonic acid guanylate ester (521 Da, Ligand)
- Human soluble guanylate cyclase (Complex from Homo sapiens)
Structure of the human sterol O-acyltransferase 1 in complex with CI-976
Resolution: 3.5 Å
EM Method: Single-particle
Fitted PDBs: 6l47
Q-score: 0.397
Guan C, Niu Y, Chen SC, Kang Y, Wu JX, Nishi K, Chang CCY, Chang TY, Luo T, Chen L
Nat Commun (2020) 11 pp. 2478-2478 [ Pubmed: 32424158 DOI: doi:10.1038/s41467-020-16288-4 ]
- 2,2-dimethyl-n-(2,4,6-trimethoxyphenyl)dodecanamide (393 Da, Ligand)
- Sterol o-acyltransferase 1 (57 kDa, Protein from Homo sapiens)
- Human sterol o-acyltransferase 1 dimer (Complex from Homo sapiens)
- Cholesterol (386 Da, Ligand)